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BDBM18300 (2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-N-[2-(4-methoxypiperidin-1-yl)ethyl]-2,8-dimethylnonanamide::8-phenyl-octanecarboxamide peptidomimetic, 57

SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(CC2)OC)C(C)C)ccc1OC

InChI Key: InChIKey=HJUPWBWKFVEKNP-DEKSYSNASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18300   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM18300
PNG
((2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(CC2)OC)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C31H55N3O6/c1-22(2)25(19-24-8-9-29(39-6)30(20-24)40-17-7-16-37-4)21-27(32)28(35)18-23(3)31(36)33-12-15-34-13-10-26(38-5)11-14-34/h8-9,20,22-23,25-28,35H,7,10-19,21,32H2,1-6H3,(H,33,36)/t23-,25+,27+,28+/m1/s1
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MMDB

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...


J Med Chem 50: 4818-31 (2007)


Article DOI: 10.1021/jm070314y
BindingDB Entry DOI: 10.7270/Q2MG7MSF
More data for this
Ligand-Target Pair